[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H19N3O3S/c23-18(20-12-17-7-4-10-26-17)14-25-19(24)9-8-15-11-21-22(13-15)16-5-2-1-3-6-16/h1-7,10-11,13H,8-9,12,14H2,(H,20,23)